| SpectraBase Compound ID | 34WKVWkhVk7 |
|---|---|
| InChI | InChI=1S/C18H21N3O3/c1-12-6-13(2)8-15(7-12)21-17(22)9-16(18(23)24)20-11-14-4-3-5-19-10-14/h3-8,10,16,20H,9,11H2,1-2H3,(H,21,22)(H,23,24) |
| InChIKey | GSBGSIOYTBTXPI-UHFFFAOYSA-N |
| Mol Weight | 327.38 g/mol |
| Molecular Formula | C18H21N3O3 |
| Exact Mass | 327.158292 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 7MfKlkAen7F |
|---|---|
| Name | 4-((3,5-dimethylphenyl)amino)-4-oxo-2-((pyridin-3-ylmethyl)ammonio)butanoate |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.158291545 u |
| Formula | C18H21N3O3 |
| InChI | InChI=1S/C18H21N3O3/c1-12-6-13(2)8-15(7-12)21-17(22)9-16(18(23)24)20-11-14-4-3-5-19-10-14/h3-8,10,16,20H,9,11H2,1-2H3,(H,21,22)(H,23,24) |
| InChIKey | GSBGSIOYTBTXPI-UHFFFAOYSA-N |
| Molecular Weight | 327.384 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2021_5450 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13288691 |